Recent content by Teng YANG

  1. T

    Graduate Mulliken Population when using double zeta basis

    Is there anyone who can help me? I was bothered by the negative occupation in atomic orbital like 5p here. I don't understand what it means. By the way, 6.00 here is the total number of charges. # 5s 5s 5py 5pz 5px 5py 5pz 5px 4dxy 4dyz...